N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide

C104H136Cl7F7N24O7 — CID 157314171

About N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide

N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (PubChem CID 157314171) has the molecular formula C104H136Cl7F7N24O7 and a molecular weight of 2215.55 g/mol. Its IUPAC name is N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
• PubChem CID: 157314171
• Molecular Formula: C104H136Cl7F7N24O7
• Molecular Weight: 2215.55 g/mol
• Exact Mass: 2210.87
• IUPAC Name: N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
• SMILES: CC(C)(C)n1c(NC(=O)CC(C)(C)C(F)(F)F)nc2cc(Cl)c(Cl)nc21.CC(CF)(CF)CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C(C)(C)C.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C(F)F)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C
• InChI: InChI=1S/C21H24N4O2.C17H23ClF2N4O.2C17H25ClN4O.C16H19Cl2F3N4O.C16H20Cl2F2N4O/c1-14-11-12-17-19(22-14)25(16-9-6-10-16)20(23-17)24-18(26)13-21(2,27)15-7-4-3-5-8-15;1-9-10(18)7-11-13(21-9)24(16(2,3)4)15(22-11)23-12(25)8-17(5,6)14(19)20;2*1-10-11(18)8-12-14(19-10)22(17(5,6)7)15(20-12)21-13(23)9-16(2,3)4;1-14(2,3)25-12-9(6-8(17)11(18)24-12)22-13(25)23-10(26)7-15(4,5)16(19,20)21;1-15(2,3)24-13-10(5-9(17)12(18)23-13)21-14(24)22-11(25)6-16(4,7-19)8-20/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26);7,14H,8H2,1-6H3,(H,22,23,25);2*8H,9H2,1-7H3,(H,20,21,23);6H,7H2,1-5H3,(H,22,23,26);5H,6-8H2,1-4H3,(H,21,22,25)/t21-;;;;;/m0...../s1
• InChIKey: BDJVGABOZBOENM-DHOIFHORSA-N
• XLogP: 27.69
• TPSA: 379.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2215.55
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?

The IUPAC name of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (CID 157314171) is N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.

What is the SMILES notation for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?

The canonical SMILES for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is CC(C)(C)n1c(NC(=O)CC(C)(C)C(F)(F)F)nc2cc(Cl)c(Cl)nc21.CC(CF)(CF)CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C(C)(C)C.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C(F)F)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.

What is the InChIKey of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?

The InChIKey is BDJVGABOZBOENM-DHOIFHORSA-N. The full InChI is InChI=1S/C21H24N4O2.C17H23ClF2N4O.2C17H25ClN4O.C16H19Cl2F3N4O.C16H20Cl2F2N4O/c1-14-11-12-17-19(22-14)25(16-9-6-10-16)20(23-17)24-18(26)13-21(2,27)15-7-4-3-5-8-15;1-9-10(18)7-11-13(21-9)24(16(2,3)4)15(22-11)23-12(25)8-17(5,6)14(19)20;2*1-10-11(18)8-12-14(19-10)22(17(5,6)7)15(20-12)21-13(23)9-16(2,3)4;1-14(2,3)25-12-9(6-8(17)11(18)24-12)22-13(25)23-10(26)7-15(4,5)16(19,20)21;1-15(2,3)24-13-10(5-9(17)12(18)23-13)21-14(24)22-11(25)6-16(4,7-19)8-20/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26);7,14H,8H2,1-6H3,(H,22,23,25);2*8H,9H2,1-7H3,(H,20,21,23);6H,7H2,1-5H3,(H,22,23,26);5H,6-8H2,1-4H3,(H,21,22,25)/t21-;;;;;/m0...../s1.

What are the key properties of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?

N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 2215.55 g/mol, XLogP of 27.69, 21 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 157314171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).